N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

C19H18N4OS — CID 46953715

IUPACN-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1cncc(CN(Cc2ccco2)Cc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C19H18N4OS/c1-4-15(10-20-7-1)12-23(14-17-5-2-8-24-17)13-16-11-21-22-19(16)18-6-3-9-25-18/h1-11H,12-14H2,(H,21,22)
InChIKeyMPENUCBKXGZRPD-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.33
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 46953715) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID46953715
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1cncc(CN(Cc2ccco2)Cc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C19H18N4OS/c1-4-15(10-20-7-1)12-23(14-17-5-2-8-24-17)13-16-11-21-22-19(16)18-6-3-9-25-18/h1-11H,12-14H2,(H,21,22)
InChIKeyMPENUCBKXGZRPD-UHFFFAOYSA-N
XLogP4.33
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 46953715) is N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is c1cncc(CN(Cc2ccco2)Cc2cn[nH]c2-c2cccs2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is MPENUCBKXGZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-4-15(10-20-7-1)12-23(14-17-5-2-8-24-17)13-16-11-21-22-19(16)18-6-3-9-25-18/h1-11H,12-14H2,(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 350.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 46953715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).